5-(4,5-dihydro-1,3-oxazol-2-yl)-2-benzofuran-1,3-dione

C11H7NO4 — CID 174772569

IUPAC5-(4,5-dihydro-1,3-oxazol-2-yl)-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc(C3=NCCO3)ccc21
InChIInChI=1S/C11H7NO4/c13-10-7-2-1-6(9-12-3-4-15-9)5-8(7)11(14)16-10/h1-2,5H,3-4H2
InChIKeyYVNAYJLYIFGEHF-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.77
Rot. Bonds1

About 5-(4,5-dihydro-1,3-oxazol-2-yl)-2-benzofuran-1,3-dione

5-(4,5-dihydro-1,3-oxazol-2-yl)-2-benzofuran-1,3-dione (PubChem CID 174772569) has the molecular formula C11H7NO4 and a molecular weight of 217.18 g/mol. Its IUPAC name is 5-(4,5-dihydro-1,3-oxazol-2-yl)-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-(4,5-dihydro-1,3-oxazol-2-yl)-2-benzofuran-1,3-dione
PubChem CID174772569
Molecular FormulaC11H7NO4
Molecular Weight217.18 g/mol
Exact Mass217.04
IUPAC Name5-(4,5-dihydro-1,3-oxazol-2-yl)-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc(C3=NCCO3)ccc21
InChIInChI=1S/C11H7NO4/c13-10-7-2-1-6(9-12-3-4-15-9)5-8(7)11(14)16-10/h1-2,5H,3-4H2
InChIKeyYVNAYJLYIFGEHF-UHFFFAOYSA-N
XLogP0.77
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-[4-[4-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]phenyl]phenyl]-2-benzofuran-1,3-dione
CID 102372125
2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 135250784
3-(4,5-dihydro-1,3-oxazol-2-yl)phenol
CID 139059691
2-[3-[17-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 140889239
benzene-1,4-diamine;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione
CID 159673650
2-quinolin-6-yl-4,5-dihydro-1,3-oxazole
CID 174566262
1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanamine
CID 84662651
4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenol
CID 136740069
2-[4-[3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]phenoxy]phenyl]-4,5-dihydro-1,3-oxazole
CID 139743368
2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 67984069
2-[4-[3,5-bis[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]phenoxy]phenyl]-4,5-dihydro-1,3-oxazole
CID 139743389
5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
CID 131738135

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dihydro-1,3-oxazol-2-yl)-2-benzofuran-1,3-dione?
The IUPAC name of 5-(4,5-dihydro-1,3-oxazol-2-yl)-2-benzofuran-1,3-dione (CID 174772569) is 5-(4,5-dihydro-1,3-oxazol-2-yl)-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-(4,5-dihydro-1,3-oxazol-2-yl)-2-benzofuran-1,3-dione?
The canonical SMILES for 5-(4,5-dihydro-1,3-oxazol-2-yl)-2-benzofuran-1,3-dione is O=C1OC(=O)c2cc(C3=NCCO3)ccc21.
What is the InChIKey of 5-(4,5-dihydro-1,3-oxazol-2-yl)-2-benzofuran-1,3-dione?
The InChIKey is YVNAYJLYIFGEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO4/c13-10-7-2-1-6(9-12-3-4-15-9)5-8(7)11(14)16-10/h1-2,5H,3-4H2.
What are the key properties of 5-(4,5-dihydro-1,3-oxazol-2-yl)-2-benzofuran-1,3-dione?
5-(4,5-dihydro-1,3-oxazol-2-yl)-2-benzofuran-1,3-dione has a molecular weight of 217.18 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dihydro-1,3-oxazol-2-yl)-2-benzofuran-1,3-dione is sourced from PubChem (CID 174772569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).